CID 201918

4-octyl-1,1'-biphenyl

Structural Information

Molecular Formula
C20H26
SMILES
CCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3
InChIKey
KCLBLDDJJJNGBC-UHFFFAOYSA-N
Compound name
1-octyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

204
Patents

266.20346 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21074 166.9
[M+Na]+ 289.19268 171.9
[M-H]- 265.19618 172.4
[M+NH4]+ 284.23728 183.3
[M+K]+ 305.16662 166.5
[M+H-H2O]+ 249.20072 158.7
[M+HCOO]- 311.20166 189.3
[M+CH3COO]- 325.21731 201.3
[M+Na-2H]- 287.17813 171.0
[M]+ 266.20291 168.4
[M]- 266.20401 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe